(2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide

C19H28N2O2 — CID 97192797

IUPAC(2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide
SMILESCOc1cc2c(cc1CNC(=O)[C@H]1CCCCCN1C)CCC2
InChIInChI=1S/C19H28N2O2/c1-21-10-5-3-4-9-17(21)19(22)20-13-16-11-14-7-6-8-15(14)12-18(16)23-2/h11-12,17H,3-10,13H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyDOBYTACKCNDRNC-QGZVFWFLSA-N
MW316.44 g/mol
LogP2.67
Rot. Bonds4

About (2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide

(2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide (PubChem CID 97192797) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide
PubChem CID97192797
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide
SMILESCOc1cc2c(cc1CNC(=O)[C@H]1CCCCCN1C)CCC2
InChIInChI=1S/C19H28N2O2/c1-21-10-5-3-4-9-17(21)19(22)20-13-16-11-14-7-6-8-15(14)12-18(16)23-2/h11-12,17H,3-10,13H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyDOBYTACKCNDRNC-QGZVFWFLSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide with MolForge

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Related Compounds

(2S)-N-[[4-(3,3-difluorocyclobutyl)oxy-5-fluoro-2-methoxyphenyl]methyl]-1-methylpyrrolidine-2-carboxamide;hydrochloride
CID 146315256
N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
CID 110851383
N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 139439837
N-[(3,4-difluorophenyl)methyl]-1-methylazepane-2-carboxamide
CID 72877122
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-2-carboxamide
CID 56861160
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 110851630
(2R)-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylazepane-2-carboxamide
CID 97193200
(2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide
CID 97113385
2-[(5-fluoro-4-hydroxy-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 135337735
2-cyclopropyl-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 74247263
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-1-methylpiperidine-2-carboxamide
CID 74231876
N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide
CID 115177811

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide?
The IUPAC name of (2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide (CID 97192797) is (2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide?
The canonical SMILES for (2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide is COc1cc2c(cc1CNC(=O)[C@H]1CCCCCN1C)CCC2.
What is the InChIKey of (2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide?
The InChIKey is DOBYTACKCNDRNC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-21-10-5-3-4-9-17(21)19(22)20-13-16-11-14-7-6-8-15(14)12-18(16)23-2/h11-12,17H,3-10,13H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide?
(2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide is sourced from PubChem (CID 97192797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).